CID 72218569

1268810-09-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(C)(C)OC(=O)NC1(CC1)C#C

InChI

InChI=1S/C10H15NO2/c1-5-10(6-7-10)11-8(12)13-9(2,3)4/h1H,6-7H2,2-4H3,(H,11,12)

InChIKey

QVGLHHJMUIIWAA-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-ethynylcyclopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 181.11028 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.11756	141.0
[M+Na]+	204.09950	155.5
[M-H]-	180.10300	146.5
[M+NH4]+	199.14410	158.0
[M+K]+	220.07344	150.5
[M+H-H2O]+	164.10754	133.6
[M+HCOO]-	226.10848	159.2
[M+CH3COO]-	240.12413	193.4
[M+Na-2H]-	202.08495	148.2
[M]+	181.10973	141.2
[M]-	181.11083	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe